Basic information
- CAS
177735-28-3- Standard SMILES
OB(O)c1cc(Cl)sc1Cl- InChIKey
UAAPRNJFCCPYBD-UHFFFAOYSA-N- Molecular formula
- C4H3BCl2O2S
- Average molar mass
- 196.85 g/mol
- Monoisotopic mass
- 195.9323861
Names & identifiers
- Preferred name
- (2,5-Dichlorothiophen-3-yl)boronic acid
- IUPAC
- (2,5-dichlorothiophen-3-yl)boronic acid
- English name
- 2,5-Dichlorothiophene-3-boronic acid
- Molecular formula
- C4H3BCl2O2S
- Molecular weight
- 196.85
Names & synonyms
177735-28-3(2,5-DICHLOROTHIOPHEN-3-YL)BORONIC ACIDDTXSID70618676RefChem:205574DTXCID50569430681-578-72,5-Dichlorothiophene-3-boronic acid2,5-dichlorothiophen-3-ylboronic acidMFCD09837622Boronic acid, B-(2,5-dichloro-3-thienyl)-Boronic acid, (2,5-dichloro-3-thienyl)-Boronic acid,B-(2,5-dichloro-3-thienyl)-
Show more names
B-(2,5-Dichloro-3-thienyl)boronic acid(2,5-Dichlorothiophen-3-yl)boronic acid - [D88740]
SCHEMBL8442649UAAPRNJFCCPYBD-UHFFFAOYSA-NCHA73528AKOS006327905(2,5-dichloro-3-thienyl)boronic acidAB53384AT16914BS-2024
Database identifiers
- CAS
177735-28-3- PubChem CID
- 21838136
- DTXSID
DTXSID70618676- EC Number
- 681-578-7
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 345.9 · 345.9±52.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- pka
- 6.98 · 6.98±0.58(Predicted)
- color
- Grey
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers19 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海隆盛化工有限公司58099637 13585536065 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海思阔化学科技有限公司021-33758897 13916453957 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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